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Sigma-Aldrich

trans-1,4-Dimethylcyclohexane

≥98.0% (GC)

Synonym(s):

trans-Hexahydro-p-xylene

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About This Item

Empirical Formula (Hill Notation):
C8H16
CAS Number:
2207-04-7
Molecular Weight:
112.21
Beilstein:
1900344
EC Number:
218-622-8
MDL number:
MFCD00064955
UNSPSC Code:
12352100
PubChem Substance ID:
57649918

Assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.421

bp

117-119 °C

solubility

water: soluble

density

0.761 g/mL at 20 °C (lit.)

SMILES string

C[C@H]1CC[C@H](C)CC1

InChI

1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-

InChI key

QRMPKOFEUHIBNM-ZKCHVHJHSA-N

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General description

trans-1,4-Dimethylcyclohexane is a branched cyclohexane (C6) compound. Rate coefficients for the reaction of Cl atoms and OH radicals with trans-1,4-dimethylcyclohexane has been evaluated by Fourier transform infrared (FTIR) spectroscopy and gas chromatography-mass spectrometry (GC-MS).[1] Oxidation of trans-1,4-dimethylcyclohexane with H2O2 catalyzed by hexafluorophosphate salt and carboxylic acid has been reported.[2] Crystal structure of trans-1,4-Dimethylcyclohexane has been studied.[3]

Application

trans-1,4-Dimethylcyclohexane (trans-Hexahydro-p-xylene) has been used to evaluate its solid-liquid phase transitions upto pressures of 300MPa and temperatures of 293K. Experimental data for the transition has been represented by Simon equation and 2nd order polynomial equation.[4]

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302

Precautionary Statements

P210 - P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBP0742V
302528/1

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